ChemSpider 2D Image | 3-{(E)-2-[(4aS,5R,6R,8aR)-6-Hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]vinyl}-2(5H)-furanone | C20H28O4

3-{(E)-2-[(4aS,5R,6R,8aR)-6-Hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]vinyl}-2(5H)-furanone

  • Molecular FormulaC20H28O4
  • Average mass332.434 Da
  • Monoisotopic mass332.198761 Da
  • ChemSpider ID29774068

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2(5H)-Furanone, 3-[(E)-2-[(4aS,5R,6R,8aR)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethenyl]- [ACD/Index Name]
3-{(E)-2-[(4aS,5R,6R,8aR)-6-Hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylendecahydro-1-naphthalinyl]vinyl}-2(5H)-furanon [German] [ACD/IUPAC Name]
3-{(E)-2-[(4aS,5R,6R,8aR)-6-Hydroxy-5-(hydroxyméthyl)-5,8a-diméthyl-2-méthylènedécahydro-1-naphtalényl]vinyl}-2(5H)-furanone [French] [ACD/IUPAC Name]
3-{(E)-2-[(4aS,5R,6R,8aR)-6-Hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]vinyl}-2(5H)-furanone [ACD/IUPAC Name]
134418-28-3 [RN]
Dehydroandrographolide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 519.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.2±6.0 kJ/mol
Flash Point: 182.4±23.6 °C
Index of Refraction: 1.567
Molar Refractivity: 92.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.89
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 45.19
ACD/KOC (pH 5.5): 532.48
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 45.19
ACD/KOC (pH 7.4): 532.48
Polar Surface Area: 67 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 283.3±5.0 cm3

Click to predict properties on the Chemicalize site


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